Flonicamid

C9H6F3N3O — CID 9834513

IUPACN-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESC1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)
InChIKeyRLQJEEJISHYWON-UHFFFAOYSA-N
MW229.16 g/mol
LogP0.80
Rot. Bonds2

About Flonicamid

Flonicamid (PubChem CID 9834513) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameFlonicamid
PubChem CID9834513
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC NameN-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESC1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)
InChIKeyRLQJEEJISHYWON-UHFFFAOYSA-N
XLogP0.80
TPSA65.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity307

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze Flonicamid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nicotinamide
CID 936
Nicorandil
CID 47528
N'-Methylnicotinamide
CID 64950
N,N-Diethylnicotinamide
CID 5497
1-Methylnicotinamide
CID 457
Nicotinohydroxamic acid
CID 71211
Nicotinuric Acid
CID 68499
Nicotinamide N-oxide
CID 72661
N-Ethylnicotinamide
CID 78007
N-(Hydroxymethyl)nicotinamide
CID 77116
4-Trifluoromethylnicotinamide
CID 2782643
4-((3-Pyridinylcarbonyl)amino)butanoic acid
CID 60608

Frequently Asked Questions

What is the IUPAC name of Flonicamid?
The IUPAC name of Flonicamid (CID 9834513) is N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for Flonicamid?
The canonical SMILES for Flonicamid is C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N.
What is the InChIKey of Flonicamid?
The InChIKey is RLQJEEJISHYWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16).
What are the key properties of Flonicamid?
Flonicamid has a molecular weight of 229.16 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Flonicamid is sourced from PubChem (CID 9834513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).